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Compounds

COMPOUND NPA009523

STRUCTURE

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PROPERTIES

NPAID	NPA009523
CLUSTER ID	2164
NODE ID	163
NAME	(22E)-ergosta-4,6,8(14),22,24(28)-pentaen-3-one
FORMULA	C28H38O
MOLECULAR WEIGHT (Da)	390.6110
ACCURATE MASS (Da)	390.2923
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	sp.
InChIKey	TVHXCCXWQYICOI-FCXPTMTQSA-N
InChI	InChI=1S/C28H38O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-18,20,24,26H,3,11-16H2,1-2,4-6H3/b8-7+/t20-,24-,26+,27+,28-/m1/s1
SMILES	C[C@H](/C=C/C(=C)C(C)C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@@]4([C@H]3CC[C@]12C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Chen, Min; Wang, Kai-Ling; Liu, Min; She, Zhi-Gang; Wang, Chang-Yun Bioactive Steroid Derivatives and Butyrolactone Derivatives from a Gorgonian-Derived Aspergillus sp. Fungus Chemistry and Biodiversity 2015 12 (9) 1398-1406.
DOI	10.1002/cbdv.201400321	PMID	26363883

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Aspergillaceae	MycoBank	1131492
Genus	Aspergillus	MycoBank	5052

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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